(4-methoxy-1-phenyl-pyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (4-methoxy-1-phenyl-3-pyrazolyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (4-methoxy-1-phenylpyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=NN(C=C3OC)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=NN(C=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-15-12-13-23(17-10-6-7-11-19(17)27-15)21(25)20-18(26-2)14-24(22-20)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3